N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

C22H22N2O3 — CID 18577481

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C22H22N2O3/c1-26-20-10-5-3-8-17(20)22(25)23-15-19(21-11-6-14-27-21)24-13-12-16-7-2-4-9-18(16)24/h2-11,14,19H,12-13,15H2,1H3,(H,23,25)
InChIKeyOCRLSGANSUNJAV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 18577481) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
PubChem CID18577481
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C22H22N2O3/c1-26-20-10-5-3-8-17(20)22(25)23-15-19(21-11-6-14-27-21)24-13-12-16-7-2-4-9-18(16)24/h2-11,14,19H,12-13,15H2,1H3,(H,23,25)
InChIKeyOCRLSGANSUNJAV-UHFFFAOYSA-N
XLogP3.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide (CID 18577481) is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(c1ccco1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is OCRLSGANSUNJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-20-10-5-3-8-17(20)22(25)23-15-19(21-11-6-14-27-21)24-13-12-16-7-2-4-9-18(16)24/h2-11,14,19H,12-13,15H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide?
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 18577481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).